SCHEMBL9040494

SCHEMBL9040494

O=C(O)C(=O)c1ccc(OCCc2ccc3ccncc3c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.48
PTPRC P08575 4/20 0.48
PTPN1 P18031 4/20 0.48
PTPN2 P17706 1/20 0.48
PTPRF P10586 1/20 0.47
MELK Q14680 1/20 0.41
LTA4H P09960 1/20 0.41
NAMPT P43490 1/20 0.40
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
FFAR1 O14842 1/20 0.39
KMT2A Q03164 1/20 0.39
SLC2A1 P11166 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
PPARG P37231 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9042143 0.88 MRGPRX4 (0.55) MRGPRX4PTPRCPTPN1PTPN2PTPRF
SCHEMBL9042414 0.81 LTA4H (0.57) PTPRCPTPN1PTPN2PTPRFLTA4H
SCHEMBL9043489 0.79 CYP1A2 (0.55) PTPRCPTPN1PTPN2PTPRFFFAR1
SCHEMBL9041398 0.75 MRGPRX4 (0.49) MRGPRX4NAMPTKMT2APPARG
SCHEMBL1123048 0.74 PKM (0.61) MRGPRX4FFAR1PPARG
SCHEMBL9040124 0.73 FFAR1 (0.64) PTPRCPTPN1PTPN2PTPRFFFAR1
SCHEMBL9042801 0.73 PTPRC (0.53) PTPRCPTPN1PTPN2PTPRFLTA4H
SCHEMBL367918 0.73 MRGPRX4 (0.76) MRGPRX4CYP4F2CYP4A11
SCHEMBL9042676 0.72 TBXAS1 (0.55) PTPRCPTPN1PTPN2FFAR1KMT2A
SCHEMBL9040525 0.71 PTPN1 (0.73) MRGPRX4PTPRCPTPN1PTPN2PTPRF

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0512352-B1 Substituted carboxylic acid derivatives HOFFMANN LA ROCHE (CH) 1996-03-27 EP claimed
EP-0512352-B1 Substituted carboxylic acid derivatives HOFFMANN LA ROCHE (CH) 1996-03-27 EP disclosed
US-5344843-A Carnitine acryltransferase enzyme inhibitors as antiischemic agents and for cardiovascular disorders HOFFMAN-LA ROCHE INC. (US) 1994-09-06 US disclosed
EP-0512352-A2 Substituted carboxylic acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1992-11-11 EP disclosed